BDBM26519 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine::Propargyl inhibitor, 17::Propargyl-linked, 11

SMILES: CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC

InChI Key: InChIKey=NNFDQABYXZBKRK-UHFFFAOYSA-N

Data: 1 KI  9 IC50

PDB links: 7 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 26519   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Bacillus anthracis)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	890	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	25
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					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM26519 (5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...) Show SMILES Show InChI	GoogleScholar	UniChem		300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair